(2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one

C16H13Cl2NO2S — CID 1274540

IUPAC(2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H13Cl2NO2S/c1-21-12-5-2-10(3-6-12)16-19(15(20)9-22-16)11-4-7-13(17)14(18)8-11/h2-8,16H,9H2,1H3/t16-/m0/s1
InChIKeyGOEDAPYSLLIRKR-INIZCTEOSA-N
MW354.26 g/mol
LogP4.78
Rot. Bonds3

About (2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one

(2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 1274540) has the molecular formula C16H13Cl2NO2S and a molecular weight of 354.26 g/mol. Its IUPAC name is (2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID1274540
Molecular FormulaC16H13Cl2NO2S
Molecular Weight354.26 g/mol
Exact Mass353.00
IUPAC Name(2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H13Cl2NO2S/c1-21-12-5-2-10(3-6-12)16-19(15(20)9-22-16)11-4-7-13(17)14(18)8-11/h2-8,16H,9H2,1H3/t16-/m0/s1
InChIKeyGOEDAPYSLLIRKR-INIZCTEOSA-N
XLogP4.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 4194179
3-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3858882
3-(4-iodophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 17384306
2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840
3-(3,4-dichlorophenyl)-2-(3-methylphenyl)-1,3-thiazolidin-4-one
CID 145366980
(2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274265
N-[4-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 3861297
3-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 5057472
(2R)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 6935158
2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 4248077
3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid
CID 3445359
3-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 13304116

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one (CID 1274540) is (2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of (2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is GOEDAPYSLLIRKR-INIZCTEOSA-N. The full InChI is InChI=1S/C16H13Cl2NO2S/c1-21-12-5-2-10(3-6-12)16-19(15(20)9-22-16)11-4-7-13(17)14(18)8-11/h2-8,16H,9H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
(2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 354.26 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1274540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).